<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4284</id>
  <title>T3D4230</title>
  <common-name>Ethyl acetate</common-name>
  <description>Ethyl acetate is found in alcoholic beverages. Ethyl acetate is found in cereal crops, radishes, fruit juices, beer, wine, spirits etc. and produced by Anthemis nobilis (Roman chamomile) and Rubus species Ethyl acetate is used in artificial fruit essences. Ethyl acetate is used as a solvent in the manufacture of modified hop extract and decaffeinated tea or coffee. Also used for colour and inks used to mark fruit or vegetables.In the field of entomology, ethyl acetate is an effective asphyxiant for use in insect collecting and study. In a killing jar charged with ethyl acetate, the vapors will kill the collected (usually adult) insect quickly without destroying it. Because it is not hygroscopic, ethyl acetate also keeps the insect soft enough to allow proper mounting suitable for a collection. Ethyl acetate has been shown to exhibit anti-arthritic, anti-mycotic, anti-nociceptive, hepatoprotective and anti-inflammatory functions  Ethyl acetate belongs to the family of Carboxylic Acid Esters. These are carboxylic acid derivatives in which the carbo atom from the carbonyl group is atached to an alkyl or oaryl moiety through an oxygen atom (forming an ester group). (A3319, A3320, A3321, A3322, A3323).</description>
  <cas>141-78-6</cas>
  <pubchem-id>8857</pubchem-id>
  <chemical-formula>C4H8O2</chemical-formula>
  <weight>88.11</weight>
  <appearance nil="true"/>
  <melting-point>-83.6°C</melting-point>
  <boiling-point>77°C (170.6°F)</boiling-point>
  <density nil="true"/>
  <solubility>80 mg/mL at 25°C</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>This is a toxic chemical found in cigarettes or generated by tobacco combustion.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T05:55:01Z</created-at>
  <updated-at type="dateTime">2026-04-16T22:53:12Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>Ethyl_acetate</wikipedia>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C00849</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>27750</chebi-id>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id>EEE</pdb-id>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCOC(C)=O</moldb-smiles>
  <moldb-formula>C4H8O2</moldb-formula>
  <moldb-inchi>InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3</moldb-inchi>
  <moldb-inchikey>XEKOWRVHYACXOJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">88.1051</moldb-average-mass>
  <moldb-mono-mass type="decimal">88.0524295</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp>0.73</logp>
  <hmdb-id>HMDB31217</hmdb-id>
  <chembl-id>CHEMBL14152</chembl-id>
  <chemspider-id>8525</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003190</chemdb-id>
  <dsstox-id>DTXSID1022001</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00004207</susdat-id>
  <iupac>ethyl acetate</iupac>
</compound>
